[Wien] Error at lapw1 cycle

EGUCHI Gaku geguchi at scphys.kyoto-u.ac.jp
Tue Nov 29 06:53:19 CET 2011 

Dear All,

Dr. Gavin Abo send me how to download the `Update3' from the Intel' website,
and I finally did it. Thanks for your help.

Best regards,
Gaku Eguchi



(11/11/29 14:40), EGUCHI Gaku wrote:
> Dear Dr. Maxim Rakitin,
>
> Thanks for your reply. But it seems that the download page was already 
> removed.
>
> Best regards,
> Gaku Eguchi
>
> (11/11/29 4:08), Maxim Rakitin wrote:
>> Please see my comment there about how to find it: 
>> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015688.html.
>>
>> Maxim
>>
>> 28.11.2011 22:02, EGUCHI Gaku пишет:
>>> Dr. Laurence Marks,
>>>
>>> Thanks a lot for your quick reply. I checked the mail readily but it 
>>> seems a
>>> different problem, because I could run w2web and went through to 
>>> `Struct-
>>> Gen' and `initialize calc.' without any problem. I also ran 
>>> `./siteconfig' but
>>> couldn't find `-O3' option.
>>>
>>> Yeah it's the problem of memory, but it looks difficult for me to 
>>> deal imme-
>>> diately.
>>> I'd like to re-install the Composer XE 2011 Update 3, but I don't 
>>> know how
>>> to find it in the current situation. If someone knows how to obtain 
>>> it, could
>>> you tell me?
>>>
>>> Best,
>>> Gaku Eguchi
>>>
>>> (11/11/29 0:00), Laurence Marks wrote:
>>>> You will see from the mailing list (e.g.
>>>> http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015651.html 
>>>>
>>>> ) that there is an issue with some of the recent versions of ifort,
>>>> and by the looks of it the version you are using won't work.
>>>>
>>>> One comment. if you do a google search on "free(): invalid next size"
>>>> you will see that this is a memory problem.
>>>>
>>>> 2011/11/28 EGUCHI Gaku<geguchi at scphys.kyoto-u.ac.jp>:
>>>>> Hello All,
>>>>>
>>>>> Recently I reinstalled WIEN2k_v11 with the latest ifort and icc
>>>>> (composer_xe_2011_sp1.7.256), or the ifort and gcc to Ubuntu 11.04,
>>>>> and consequently I've fallen into suffering from the following error
>>>>> at the SRC run. Is this also the problem for the compiler, which is
>>>>> difficult to deal with for the beginner?
>>>>>
>>>>> The installation has done without any problem. I executed everything
>>>>> in bash and the setting by userconfig_lapw is done to .bashrc.
>>>>>
>>>>> I'm happy if I could keep using ifort because of the simplicity of 
>>>>> the
>>>>> installation.
>>>>>
>>>>> Best,
>>>>> Gaku Eguchi
>>>>>
>>>>> -----------
>>>>> LAPW0 END
>>>>> *** glibc detected *** 
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c: free():
>>>>> invalid next size (normal): 0x00000000024e8f40 ***
>>>>> ======= Backtrace: =========
>>>>> /lib/x86_64-linux-gnu/libc.so.6(+0x78a8f)[0x2b5847c4aa8f]
>>>>> /lib/x86_64-linux-gnu/libc.so.6(cfree+0x73)[0x2b5847c4e8e3]
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x4a8d0c]
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x465a9a]
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x40e828]
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x442bf3]
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x404ccc]
>>>>> /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xff)[0x2b5847bf0eff] 
>>>>>
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c[0x404bc9]
>>>>> ======= Memory map: ========
>>>>> 00400000-005a6000 r-xp 00000000 08:01 1580323
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c
>>>>> 007a5000-007b4000 rw-p 001a5000 08:01 1580323
>>>>> /home/parallels/Downloads/wien2k_v11/lapw1c
>>>>> 007b4000-00a3d000 rw-p 00000000 00:00 0
>>>>> 0221c000-033ae000 rw-p 00000000 00:00 0
>>>>> [heap]
>>>>> 2b58447dd000-2b58447fe000 r-xp 00000000 08:01 3673832
>>>>> /lib/x86_64-linux-gnu/ld-2.13.so
>>>>> 2b58447fe000-2b5844800000 rw-p 00000000 00:00 0
>>>>> 2b58449fd000-2b58449fe000 r--p 00020000 08:01 3673832
>>>>> /lib/x86_64-linux-gnu/ld-2.13.so
>>>>> 2b58449fe000-2b5844a00000 rw-p 00021000 08:01 3673832
>>>>> /lib/x86_64-linux-gnu/ld-2.13.so
>>>>> 2b5844a00000-2b5844f8e000 r-xp 00000000 08:01 797568
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 
>>>>>
>>>>> 2b5844f8e000-2b584518e000 ---p 0058e000 08:01 797568
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 
>>>>>
>>>>> 2b584518e000-2b584519c000 rw-p 0058e000 08:01 797568
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_lp64.so 
>>>>>
>>>>> 2b584519c000-2b58451a2000 rw-p 00000000 00:00 0
>>>>> 2b58451a2000-2b5845e9a000 r-xp 00000000 08:01 797580
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 
>>>>>
>>>>> 2b5845e9a000-2b5846099000 ---p 00cf8000 08:01 797580
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 
>>>>>
>>>>> 2b5846099000-2b58461f1000 rw-p 00cf7000 08:01 797580
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_intel_thread.so 
>>>>>
>>>>> 2b58461f1000-2b58461f4000 rw-p 00000000 00:00 0
>>>>> 2b58461f4000-2b584700b000 r-xp 00000000 08:01 795641
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
>>>>> 2b584700b000-2b584720a000 ---p 00e17000 08:01 795641
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
>>>>> 2b584720a000-2b584721e000 rw-p 00e16000 08:01 795641
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_core.so
>>>>> 2b584721e000-2b584722e000 rw-p 00000000 00:00 0
>>>>> 2b584723d000-2b5847255000 r-xp 00000000 08:01 3673910
>>>>> /lib/x86_64-linux-gnu/libpthread-2.13.so
>>>>> 2b5847255000-2b5847455000 ---p 00018000 08:01 3673910
>>>>> /lib/x86_64-linux-gnu/libpthread-2.13.so
>>>>> 2b5847455000-2b5847456000 r--p 00018000 08:01 3673910
>>>>> /lib/x86_64-linux-gnu/libpthread-2.13.so
>>>>> 2b5847456000-2b5847457000 rw-p 00019000 08:01 3673910
>>>>> /lib/x86_64-linux-gnu/libpthread-2.13.so
>>>>> 2b5847457000-2b584745c000 rw-p 00000000 00:00 0
>>>>> 2b584745c000-2b58474e0000 r-xp 00000000 08:01 3673882
>>>>> /lib/x86_64-linux-gnu/libm-2.13.so
>>>>> 2b58474e0000-2b58476df000 ---p 00084000 08:01 3673882
>>>>> /lib/x86_64-linux-gnu/libm-2.13.so
>>>>> 2b58476df000-2b58476e0000 r--p 00083000 08:01 3673882
>>>>> /lib/x86_64-linux-gnu/libm-2.13.so
>>>>> 2b58476e0000-2b58476e1000 rw-p 00084000 08:01 3673882
>>>>> /lib/x86_64-linux-gnu/libm-2.13.so
>>>>> 2b58476e1000-2b58477ad000 r-xp 00000000 08:01 786493
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so 
>>>>>
>>>>> 2b58477ad000-2b58479ac000 ---p 000cc000 08:01 786493
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so 
>>>>>
>>>>> 2b58479ac000-2b58479b6000 rw-p 000cb000 08:01 786493
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/compiler/lib/intel64/libiomp5.so 
>>>>>
>>>>> 2b58479b6000-2b58479cd000 rw-p 00000000 00:00 0
>>>>> 2b58479cd000-2b58479cf000 r-xp 00000000 08:01 3673855
>>>>> /lib/x86_64-linux-gnu/libdl-2.13.so
>>>>> 2b58479cf000-2b5847bcf000 ---p 00002000 08:01 3673855
>>>>> /lib/x86_64-linux-gnu/libdl-2.13.so
>>>>> 2b5847bcf000-2b5847bd0000 r--p 00002000 08:01 3673855
>>>>> /lib/x86_64-linux-gnu/libdl-2.13.so
>>>>> 2b5847bd0000-2b5847bd1000 rw-p 00003000 08:01 3673855
>>>>> /lib/x86_64-linux-gnu/libdl-2.13.so
>>>>> 2b5847bd1000-2b5847bd2000 rw-p 00000000 00:00 0
>>>>> 2b5847bd2000-2b5847d5c000 r-xp 00000000 08:01 3673845
>>>>> /lib/x86_64-linux-gnu/libc-2.13.so
>>>>> 2b5847d5c000-2b5847f5b000 ---p 0018a000 08:01 3673845
>>>>> /lib/x86_64-linux-gnu/libc-2.13.so
>>>>> 2b5847f5b000-2b5847f5f000 r--p 00189000 08:01 3673845
>>>>> /lib/x86_64-linux-gnu/libc-2.13.so
>>>>> 2b5847f5f000-2b5847f60000 rw-p 0018d000 08:01 3673845
>>>>> /lib/x86_64-linux-gnu/libc-2.13.so
>>>>> 2b5847f60000-2b5847f66000 rw-p 00000000 00:00 0
>>>>> 2b5847f66000-2b5847f7b000 r-xp 00000000 08:01 3673873
>>>>> /lib/x86_64-linux-gnu/libgcc_s.so.1
>>>>> 2b5847f7b000-2b584817a000 ---p 00015000 08:01 3673873
>>>>> /lib/x86_64-linux-gnu/libgcc_s.so.1
>>>>> 2b584817a000-2b584817b000 r--p 00014000 08:01 3673873
>>>>> /lib/x86_64-linux-gnu/libgcc_s.so.1
>>>>> 2b584817b000-2b584817c000 rw-p 00015000 08:01 3673873
>>>>> /lib/x86_64-linux-gnu/libgcc_s.so.1
>>>>> 2b584817c000-2b584817f000 rw-p 00000000 00:00 0
>>>>> 2b584817f000-2b5848788000 r-xp 00000000 08:01 797692
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_avx.so 
>>>>>
>>>>> 2b5848788000-2b5848988000 ---p 00609000 08:01 797692
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_avx.so 
>>>>>
>>>>> 2b5848988000-2b58489af000 rw-p 00609000 08:01 797692
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_vml_avx.so 
>>>>>
>>>>> 2b58489af000-2b58489b0000 rw-p 00000000 00:00 0
>>>>> 2b5848a7f000-2b5848be7000 rw-p 00000000 00:00 0
>>>>> 2b58498ea000-2b584b206000 r-xp 00000000 08:01 795470
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_avx.so
>>>>> 2b584b206000-2b584b405000 ---p 0191c000 08:01 795470
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_avx.so
>>>>> 2b584b405000-2b584b41a000 rw-p 0191b000 08:01 795470
>>>>> /opt/intel/composer_xe_2011_sp1.7.256/mkl/lib/intel64/libmkl_avx.so
>>>>> 2b584b41a000-2b584b63c000 rw-p 00000000 00:00 0
>>>>> 2b584c000000-2b584c021000 rw-p 00000000 00:00 0
>>>>> 2b584c021000-2b5850000000 ---p 00000000 00:00 0
>>>>> 7fff9e4de000-7fff9e500000 rw-p 00000000 00:00 0
>>>>> [stack]
>>>>> 7fff9e54d000-7fff9e54e000 r-xp 00000000 00:00 0
>>>>> [vdso]
>>>>> ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0
>>>>> [vsyscall]
>>>>>
>>>>>> stop error
>>>>> -- 
>>>>> ------------------------------------------------------------------------ 
>>>>>
>>>>> Gaku Eguchi
>>>>> Department of Physics, Graduate School of Science, Kyoto University
>>>>> Oiwake-cho, Kitashirakawa, Sakyou-ku, Kyoto 606-8502, Japan
>>>>> Laboratory TEL : +81-75-753-3744
>>>>> E-mail : geguchi at scphys.kyoto-u.ac.jp
>>>>> http://www.ss.scphys.kyoto-u.ac.jp/index.html.en
>>>>> ------------------------------------------------------------------------ 
>>>>>
>>>>>
>>>>> _______________________________________________
>>>>> Wien mailing list
>>>>> Wien at zeus.theochem.tuwien.ac.at
>>>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>>>
>>>>>
>>>>
>>>>
>>>
>>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>


-- 
------------------------------------------------------------------------
Gaku Eguchi
Department of Physics, Graduate School of Science, Kyoto University
Oiwake-cho, Kitashirakawa, Sakyou-ku, Kyoto 606-8502, Japan
Laboratory  TEL   : +81-75-753-3744
E-mail : geguchi at scphys.kyoto-u.ac.jp
http://www.ss.scphys.kyoto-u.ac.jp/index.html.en
------------------------------------------------------------------------

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